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使用Voronoi分析评估Zr(80)Pt(20)玻璃合金中纳米级准晶形成的局部环境。

Evaluation of the local environment for nanoscale quasicrystal formation in Zr(80)Pt(20) glassy alloy using Voronoi analysis.

作者信息

Saida Junji, Itoh Keiji, Sato Shigeo, Imafuku Muneyuki, Sanada Takashi, Inoue Akihisa

机构信息

Center for Interdisciplinary Research, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan.

出版信息

J Phys Condens Matter. 2009 Sep 16;21(37):375104. doi: 10.1088/0953-8984/21/37/375104. Epub 2009 Aug 11.

Abstract

The local atomic structure of nano-quasicrystal-forming Zr(80)Pt(20) binary glassy alloy was investigated by reverse Monte Carlo modeling based on the results of x-ray diffraction. A prepeak at Q∼17 nm(-1) originating from the unique bonding between the Pt-Pt pair is observed in the structure factor. Voronoi analysis indicates that an icosahedral-like polyhedron is formed around Pt. It is also found that icosahedral-like polyhedra exist around Zr; however, the fraction of perfect icosahedra is considerably lower than that in the nano-quasicrystalforming Zr(70)Pd(30) glassy alloy. A difference in the local environment between the two binary quasicrystal-forming glassy alloys is suggested.

摘要

基于X射线衍射结果,通过反向蒙特卡洛模拟研究了形成纳米准晶体的Zr(80)Pt(20)二元玻璃合金的局部原子结构。在结构因子中观察到一个位于Q∼17 nm⁻¹处的预峰,它源于Pt-Pt对之间独特的键合。Voronoi分析表明,在Pt周围形成了一个类似二十面体的多面体。还发现Zr周围也存在类似二十面体的多面体;然而,完美二十面体的比例远低于形成纳米准晶体的Zr(70)Pd(30)玻璃合金。这表明两种形成二元准晶体的玻璃合金在局部环境上存在差异。

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